N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine

C11H22N2 — CID 123324348

IUPACN,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine
SMILESCC(C)=NC=CCC(C)CN(C)C
InChIInChI=1S/C11H22N2/c1-10(2)12-8-6-7-11(3)9-13(4)5/h6,8,11H,7,9H2,1-5H3
InChIKeyTYHSTJKPPOBCJX-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.57
Rot. Bonds5

About N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine

N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine (PubChem CID 123324348) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine
PubChem CID123324348
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine
SMILESCC(C)=NC=CCC(C)CN(C)C
InChIInChI=1S/C11H22N2/c1-10(2)12-8-6-7-11(3)9-13(4)5/h6,8,11H,7,9H2,1-5H3
InChIKeyTYHSTJKPPOBCJX-UHFFFAOYSA-N
XLogP2.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57239418
1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57244631
butyl-[(Z)-3,4-dimethylpent-1-enyl]-ethylideneazanium
CID 89659153
N-[(E)-4-methylpent-1-enyl]butan-2-imine
CID 90063487
3-Propan-2-yl-1-propan-2-ylidenepyrrol-1-ium
CID 91216970
1-(3,4-dihydropyridin-4-yl)-N,N-dimethylmethanamine
CID 123177997
Butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium
CID 123189357
Butyl-ethylidene-(4-methylhex-1-enyl)azanium
CID 123794813
1-butyl-3-ethyl-4-methyl-6,7-dihydro-3H-1,5-diazonin-1-ium
CID 124029688
methyl-methylidene-[(Z)-2-methyl-4-(propan-2-ylideneamino)but-3-enyl]azanium
CID 132150826
3-ethenyl-1-methyl-5-propan-2-yl-2H-pyrazine
CID 135224630
2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine
CID 139538966

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine?
The IUPAC name of N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine (CID 123324348) is N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine.
What is the SMILES notation for N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine?
The canonical SMILES for N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine is CC(C)=NC=CCC(C)CN(C)C.
What is the InChIKey of N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine?
The InChIKey is TYHSTJKPPOBCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)12-8-6-7-11(3)9-13(4)5/h6,8,11H,7,9H2,1-5H3.
What are the key properties of N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine?
N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine is sourced from PubChem (CID 123324348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).